(2Z,4E)-5-fluoro-N,3-dimethylhexa-2,4-dien-1-amine

C8H14FN — CID 146223127

IUPAC(2Z,4E)-5-fluoro-N,3-dimethylhexa-2,4-dien-1-amine
SMILESCNC/C=C(C)\C=C(/C)F
InChIInChI=1S/C8H14FN/c1-7(4-5-10-3)6-8(2)9/h4,6,10H,5H2,1-3H3/b7-4-,8-6+
InChIKeyZFRSJDDTYSJAQJ-ZJLRGQKUSA-N
MW143.20 g/mol
LogP2.03
Rot. Bonds3

About (2Z,4E)-5-fluoro-N,3-dimethylhexa-2,4-dien-1-amine

(2Z,4E)-5-fluoro-N,3-dimethylhexa-2,4-dien-1-amine (PubChem CID 146223127) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is (2Z,4E)-5-fluoro-N,3-dimethylhexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z,4E)-5-fluoro-N,3-dimethylhexa-2,4-dien-1-amine
PubChem CID146223127
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC Name(2Z,4E)-5-fluoro-N,3-dimethylhexa-2,4-dien-1-amine
SMILESCNC/C=C(C)\C=C(/C)F
InChIInChI=1S/C8H14FN/c1-7(4-5-10-3)6-8(2)9/h4,6,10H,5H2,1-3H3/b7-4-,8-6+
InChIKeyZFRSJDDTYSJAQJ-ZJLRGQKUSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.20
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-5-fluoro-N,3-dimethylhexa-2,4-dien-1-amine?
The IUPAC name of (2Z,4E)-5-fluoro-N,3-dimethylhexa-2,4-dien-1-amine (CID 146223127) is (2Z,4E)-5-fluoro-N,3-dimethylhexa-2,4-dien-1-amine.
What is the SMILES notation for (2Z,4E)-5-fluoro-N,3-dimethylhexa-2,4-dien-1-amine?
The canonical SMILES for (2Z,4E)-5-fluoro-N,3-dimethylhexa-2,4-dien-1-amine is CNC/C=C(C)\C=C(/C)F.
What is the InChIKey of (2Z,4E)-5-fluoro-N,3-dimethylhexa-2,4-dien-1-amine?
The InChIKey is ZFRSJDDTYSJAQJ-ZJLRGQKUSA-N. The full InChI is InChI=1S/C8H14FN/c1-7(4-5-10-3)6-8(2)9/h4,6,10H,5H2,1-3H3/b7-4-,8-6+.
What are the key properties of (2Z,4E)-5-fluoro-N,3-dimethylhexa-2,4-dien-1-amine?
(2Z,4E)-5-fluoro-N,3-dimethylhexa-2,4-dien-1-amine has a molecular weight of 143.20 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-5-fluoro-N,3-dimethylhexa-2,4-dien-1-amine is sourced from PubChem (CID 146223127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).